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Error using ddg_monomer application (Assertion `pose.residue(resnum).name1() == wt` failed)

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Error using ddg_monomer application (Assertion `pose.residue(resnum).name1() == wt` failed)

Hi, I've unsuccessfully tried to run ddg_monomer app. I want to study the estability of a small protein after some mutations. I have used a pre-minimized pdb file as an input file, but I have the following error (last lines):

apps.public.ddg.ddg_monomer: reading in mutfile
apps.public.ddg.ddg_monomer: wt is N resnum is 25 and mut is P
apps.public.ddg.ddg_monomer: wt is Y resnum is 60 and mut is H

ERROR: Assertion `pose.residue(resnum).name1() == wt` failed.
ERROR:: Exit from: src/apps/public/ddg/ line: 171

I have found a similar error in the Rosetta forum, but none of the solutions (, worked for my problem. I am pretty new using Rosetta, so it's quite possible that I'm doing something wrong.

I have attached the files I used with the app. The original pdb file has an unsolved loop, and also has a n-glycated residue. I'm not sure if this can be a problem for ddg_monomer.   

Any help/suggestion is very welcome!



pdb file250.17 KB
ddg paramters569 bytes
mutations64 bytes
Post Situation: 
Thu, 2021-06-24 14:47

I've also tried dd_monomer with a deglycated and complete chain of my protein without success. 

Fri, 2021-06-25 10:18

Sorry, it was my mistake, I didn't realize that sequence numbering wasn't consecutive!!

Fri, 2021-06-25 11:26